异烟酸

异烟酸用途

Isonicotinic acid 是 Isoniazid 的代谢产物。通过肼解将 Isoniazid 转化为 Isonicotinic acid,并且 Isoniazid 向 Isonicotinic acid 的生物转化也可以通过细胞色素 P450 (CYP) 酶 (如 CYP2C) 催化。

异烟酸名称

[ CAS 号 ]:
55-22-1

[ 中文名 ]:
异烟酸

[ 英文名 ]:
Isonicotinic acid

[中文别名 ]:

[英文别名 ]:

EINECS 200-228-2
4-Pyridinecarboxylic acid
g-Pyridinecarboxylic Acid
Pyridine-4-carboxylic acid
MFCD00006429
g-picolinic acid
Isonicotinic acid

异烟酸生物活性

[ 描述 ]:

[ 相关类别 ]:

研究领域 >> 其他

[参考文献]

[1]. Seng KY, et al. Population pharmacokinetic analysis of isoniazid, acetylisoniazid, and isonicotinic acid in healthy volunteers. Antimicrob Agents Chemother. 2015 Nov;59(11):6791-9.

异烟酸物理化学性质

[ 密度 ]:
1.3±0.1 g/cm3

[ 沸点 ]:
396.0±15.0 °C at 760 mmHg

[ 熔点 ]:
≥300 °C(lit.)

[ 分子式 ]:
C₆H₅NO₂

[ 分子量 ]:
123.109

[ 闪点 ]:
193.3±20.4 °C

[ 精确质量 ]:
123.032028

[ PSA ]:
50.19000

[ LogP ]:
0.54

[ 外观性状 ]:
白色至灰白色结晶固体

[ 蒸汽压 ]:
0.0±1.0 mmHg at 25°C

[ 折射率 ]:
1.571

[ 储存条件 ]:
-20°C

[ 水溶解性 ]:
5.2 g/L (20 ºC)

异烟酸MSDS

异烟酸毒性和生态

CHEMICAL IDENTIFICATION

RTECS NUMBER :: NS1103000

CHEMICAL NAME :: Isonicotinic acid

CAS REGISTRY NUMBER :: 55-22-1

LAST UPDATED :: 199709

DATA ITEMS CITED :: 6

MOLECULAR FORMULA :: C6-H5-N-O2

MOLECULAR WEIGHT :: 123.12

WISWESSER LINE NOTATION :: T6NJ DVQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 5 gm/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - changes in motor activity (specific assay)

REFERENCE :: PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 11,481,1977

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 3123 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - changes in motor activity (specific assay)

REFERENCE :: PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 11,481,1977

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 436 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - changes in motor activity (specific assay)

REFERENCE :: PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 11,481,1977

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 5 gm/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: THERAP Therapie. (Doin, Editeurs, 8, Place de l'Odeon, F-75006 Paris, France) V.1- 1946- Volume(issue)/page/year: 23,1343,1968 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X6268 No. of Facilities: 7 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 1822 (estimated) No. of Female Employees: 272 (estimated)

异烟酸安全信息

[ 符号 ]:

GHS07

[ 信号词 ]:
Warning

[ 危害声明 ]:
H315-H319-H335

[ 警示性声明 ]:
P261-P305 + P351 + P338

[ 个人防护装备 ]:
dust mask type N95 (US);Eyeshields;Gloves

[ 危害码 (欧洲) ]:
Xi:Irritant

[ 风险声明 (欧洲) ]:
R36/37/38

[ 安全声明 (欧洲) ]:
S26-S36

[ 危险品运输编码 ]:
NONH for all modes of transport

[ WGK德国 ]:
2

[ RTECS号 ]:
NS1103000

[ 海关编码 ]:
2933399090

异烟酸合成路线

异烟酸上下游产品

异烟酸上游产品

异烟酸下游产品

异烟酸制备

用4-甲基吡啶为原料，以五氧化二钒为催化剂进行连续氧化而制得。工业品异烟酸的纯度为95%以上，上述方法的收率为70-75%。每吨产品消耗4-甲基吡啶1070kg。

异烟酸海关

[ 海关编码 ]: 2933399090

[ 中文概述 ]:
2933399090. 其他结构含非稠合吡啶环的化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

[ 申报要素 ]: 品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期

[ Summary ]:
2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

异烟酸文献

Translating clinical findings into knowledge in drug safety evaluation--drug induced liver injury prediction system (DILIps).

J. Sci. Ind. Res. 65(10) , 808, (2006)

Drug-induced liver injury (DILI) is a significant concern in drug development due to the poor concordance between preclinical and clinical findings of liver toxicity. We hypothesized that the DILI typ...

Developing structure-activity relationships for the prediction of hepatotoxicity.

Chem. Res. Toxicol. 23 , 1215-22, (2010)

Drug-induced liver injury is a major issue of concern and has led to the withdrawal of a significant number of marketed drugs. An understanding of structure-activity relationships (SARs) of chemicals ...

Efficient Light-Driven Water Oxidation Catalysis by Dinuclear Ruthenium Complexes.

ChemSusChem 8 , 3688-96, (2015)

Mastering the light-induced four-electron oxidation of water to molecular oxygen is a key step towards the achievement of overall water splitting to produce alternative solar fuels. In this work, we r...

更多文献

异烟酸